3,5-bis(4-fluorophenyl)-1-phenylpyrazole

C21H14F2N2 — CID 10711613

IUPAC3,5-bis(4-fluorophenyl)-1-phenylpyrazole
SMILESFc1ccc(-c2cc(-c3ccc(F)cc3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H14F2N2/c22-17-10-6-15(7-11-17)20-14-21(16-8-12-18(23)13-9-16)25(24-20)19-4-2-1-3-5-19/h1-14H
InChIKeySDRKZTNENZLOBY-UHFFFAOYSA-N
MW332.35 g/mol
LogP5.48
Rot. Bonds3

About 3,5-bis(4-fluorophenyl)-1-phenylpyrazole

3,5-bis(4-fluorophenyl)-1-phenylpyrazole (PubChem CID 10711613) has the molecular formula C21H14F2N2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 3,5-bis(4-fluorophenyl)-1-phenylpyrazole.

Molecular Properties

Compound Name3,5-bis(4-fluorophenyl)-1-phenylpyrazole
PubChem CID10711613
Molecular FormulaC21H14F2N2
Molecular Weight332.35 g/mol
Exact Mass332.11
IUPAC Name3,5-bis(4-fluorophenyl)-1-phenylpyrazole
SMILESFc1ccc(-c2cc(-c3ccc(F)cc3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H14F2N2/c22-17-10-6-15(7-11-17)20-14-21(16-8-12-18(23)13-9-16)25(24-20)19-4-2-1-3-5-19/h1-14H
InChIKeySDRKZTNENZLOBY-UHFFFAOYSA-N
XLogP5.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.35
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-fluorophenyl)-1-phenylpyrazole?
The IUPAC name of 3,5-bis(4-fluorophenyl)-1-phenylpyrazole (CID 10711613) is 3,5-bis(4-fluorophenyl)-1-phenylpyrazole.
What is the SMILES notation for 3,5-bis(4-fluorophenyl)-1-phenylpyrazole?
The canonical SMILES for 3,5-bis(4-fluorophenyl)-1-phenylpyrazole is Fc1ccc(-c2cc(-c3ccc(F)cc3)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 3,5-bis(4-fluorophenyl)-1-phenylpyrazole?
The InChIKey is SDRKZTNENZLOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2/c22-17-10-6-15(7-11-17)20-14-21(16-8-12-18(23)13-9-16)25(24-20)19-4-2-1-3-5-19/h1-14H.
What are the key properties of 3,5-bis(4-fluorophenyl)-1-phenylpyrazole?
3,5-bis(4-fluorophenyl)-1-phenylpyrazole has a molecular weight of 332.35 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-fluorophenyl)-1-phenylpyrazole is sourced from PubChem (CID 10711613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).